SCHEMBL1119129

SCHEMBL1119129

CN[C@@H]1COc2ccc(Cl)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.43
AHR P35869 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
FFAR1 O14842 8/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.36
MAP3K14 Q99558 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1119127 1.00 CA2 (0.49) CA2CA1AHRNPC1L3MBTL1
SCHEMBL1119149 0.93 CA2 (0.49) CA2CA1AHRNPC1L3MBTL1
SCHEMBL1119152 0.93 CA2 (0.49) CA2CA1AHRNPC1L3MBTL1
SCHEMBL1877576 0.79 CA2 (0.48) CA2CA1AHRNPC1L3MBTL1
SCHEMBL4962751 0.78 CA2 (0.33) CA2CA1NPC1L3MBTL1HTT
SCHEMBL6761876 0.78 CA2 (0.65) CA2CA1NPC1HTR1ADRD2
SCHEMBL4961667 0.77 AQP1 (0.41) CA2CA1NPC1L3MBTL1HTR2C
SCHEMBL4960250 0.76 NPC1 (0.39) CA2CA1NPC1L3MBTL1HTT
SCHEMBL4960249 0.76 NPC1 (0.39) CA2CA1NPC1L3MBTL1HTT
SCHEMBL3809469 0.76 POLB (0.46) CA2NPC1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280951-A2 PROCESSES FOR THE PREPARATION OF BENZO-FUSED DIOXIN DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2011-02-09 EP disclosed
WO-2009120192-A2 PROCESS FOR THE PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JASSEN PHARMACEUTICA, N.V. (BE) 2009-10-01 WO disclosed
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES JANSSEN PHARMACEUTICA, N.C. (BE) 2009-10-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090247618-A1 PROCESS FOR PREPARATION OF BENZO-FUSED HETEROARYL DERIVATIVES CYP3A4, CYP3A5, CYP1A2 CA2 3270/4885CA1 2909/4885AHR 213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.